Atomic geometry, electronic structure, and vibrational properties of the AlSb(110) and GaSb(110) surfaces

We have investigated the atomic geometry and electronic structure of the cl ean (110) surfaces of AlSb and GaSb using the nb initio pseudopotential the ory. The calculated atomic geometry for these surfaces is in good agreement with experimental and previous theoretical results. The calculated electro nic spectrum for the GaSb(110) surface agrees very well with photoemission results. We have used our atomic geometry to study surface phonons on these surfaces by applying the adiabatic bond-charge model. The calculated phono n spectra for both surfaces compare very well with results obtained from a recent high-resolution electron-energy-loss spectroscopy experiment. The re sults are used to draw some general trends for surface phonons on III-V(110 ). [S0163-1829(99)02108-6].